4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H26FN3O3 — CID 177193205

IUPAC4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1cc(F)ccc1C1CCCC(C)C1.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C14H19FO.C9H7N3O2/c1-10-4-3-5-11(8-10)13-7-6-12(15)9-14(13)16-2;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h6-7,9-11H,3-5,8H2,1-2H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyQOXWVSLHWJFOMF-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.15
Rot. Bonds3

About 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177193205) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177193205
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1cc(F)ccc1C1CCCC(C)C1.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C14H19FO.C9H7N3O2/c1-10-4-3-5-11(8-10)13-7-6-12(15)9-14(13)16-2;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h6-7,9-11H,3-5,8H2,1-2H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyQOXWVSLHWJFOMF-UHFFFAOYSA-N
XLogP4.15
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192635
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193213
3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193345
2-chloro-1-fluoro-3-methoxybenzene;2-(3-methylcyclopentyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085740
(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192178
3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085628
1-cyclohexyl-3,4-difluoro-2-methoxybenzene;2-cyclopentyl-1H-1,6-naphthyridin-4-one;1,2-difluoro-3-methoxy-4-methylbenzene;ethane;2-methylpropane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192630
4-[(3S)-3-(difluoromethyl)cyclohexyl]-1,1-difluorocyclohexane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021555
5-(4,4-difluorocyclohexyl)-2-methyl-3-oxabicyclo[3.1.1]hept-1-ene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021068
2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193358
2-[(1S,2S,4R)-2-(2-ethyl-3,4-difluorophenyl)-4-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192627
2-[(5S)-2-(3,4-difluoro-2-methoxyphenyl)-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193271

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177193205) is 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is COc1cc(F)ccc1C1CCCC(C)C1.NC(=O)c1nccc2[nH]ccc(=O)c12.
What is the InChIKey of 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is QOXWVSLHWJFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO.C9H7N3O2/c1-10-4-3-5-11(8-10)13-7-6-12(15)9-14(13)16-2;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h6-7,9-11H,3-5,8H2,1-2H3;1-4H,(H2,10,14)(H,11,13).
What are the key properties of 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177193205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).